아조라마이드 - Moligand™, ≥98% , CAS No.932986-18-0

CAS: 932986-18-0 Cat. No.: A195910 분자식: C₁₅H₁₇ClN₂OS 분자량: 308.83

GRADE & PURITY Moligand™, ≥98%

Synonyms

CCG-267569 | BRD-K67416388-001-01-3 | N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]butanamide | SCHEMBL21523880 | Azoramide, >=98% (HPLC) | NCGC00484058-03 | s8304 | BCP23896 | NCGC00484058-01 | N-{2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl}butanamid

Storage

Store at 2-8°C,Argon charged

Shipped In

보통

Specifications

동의어

CCG-267569 | BRD-K67416388-001-01-3 | N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]butanamide | SCHEMBL21523880 | Azoramide, >=98% (HPLC) | NCGC00484058-03 | s8304 | BCP23896 | NCGC00484058-01 | N-{2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl}butanamid

사양 및 순도

Moligand™, ≥98%

생화학 및 생리적 메커니즘

UPR(언폴딩 단백질 반응 조절제). ER 단백질 폴딩을 개선하고 ER 샤프론 능력을 활성화하여 ER 스트레스로부터 세포를 보호합니다. 또한 ER 칼슘 보유를 개선합니다. 간 ER 기능, 포도당 항상성 및 포도당 자극을 개선합니다

보관 조건

Store at 2-8°C,Argon charged

배송

보통

등급

Moligand™

순수함

≥98%

이름과 식별자

Pubchem Sid

508810805

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508810805

정식 스마일

CCCC(=O)NCCC1=CSC(=N1)C2=CC=C(C=C2)Cl

IUPAC Name

N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]butanamide

InChIKey

VYBFWKKCWTXCQX-UHFFFAOYSA-N

INCHI

1S/C15H17ClN2OS/c1-2-3-14(19)17-9-8-13-10-20-15(18-13)11-4-6-12(16)7-5-11/h4-7,10H,2-3,8-9H2,1H3,(H,17,19)

이성체 SMILES

CCCC(=O)NCCC1=CSC(=N1)C2=CC=C(C=C2)Cl

분자량

308.83

Reaxy-Rn

34161097

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=34161097&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Azoles
      • Subclass Thiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Azoles
• Subclass: Thiazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: 2,4-disubstituted thiazoles
• Alternative Parents: Chlorobenzenes N-acyl amines Aryl chlorides Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2,4-disubstituted 1,3-thiazole - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Fatty amide - N-acyl-amine - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Organochloride - Aromatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as 2,4-disubstituted thiazoles. These are compounds containing a thiazole ring substituted at the positions 2 and 3.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

화학 및 물리적 특성

• 용해성: Solvent:DMSO, Max Conc. mg/mL: 30.88, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 30.88, Max Conc. mM: 100
• 분자량: 308.800 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 308.075 Da
• Monoisotopic Mass: 308.075 Da
• Topological Polar Surface Area: 70.200 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 308.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1